Compound Detail
CHEMBL5923197
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COC(C)C#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12
Basic Information
| ChEMBL ID | CHEMBL5923197 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODMUNSPBAIJLIG-GGYWPGCISA-N |
4
Targets
14
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
506.6
MW (Da)
3.49
ALogP
8
HBA
2
HBD
116.5
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 14 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 5.7 | 5.535 | 2000.0 | 4 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 5.7 | 5.7 | 2000.0 | 3 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 5.7 | 5.555 | 2000.0 | 4 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 5.7 | 5.7 | 2000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine